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Chemistry
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Raphaël
  • Member for 11 years, 9 months
  • Last seen more than 1 year ago
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36
Is it possible to achieve a level of "truly zero" concentration?
Aug 7, 2020
answer
9
Is it rigorous enough to change a DFT functional after geometry optimization to calculate excited state properties?
Dec 16, 2020
answer
8
Three stacked arrows, what does it signify?
Sep 17, 2020
question
6
What are the constraints on the two electron integral matrix?
Aug 4, 2019
answer
6
Why is tert-butoxide often used in elimination reactions when it is not necessary?
Aug 13, 2019
question
5
Developing Computational Chemistry Software
Jul 4, 2019
answer
5
Can you call H_2 an Atom?
May 12, 2020
answer
5
Why does formation of bond releases energy and where does that energy come from?
Aug 13, 2020
question
4
How do chemists find a procedure to produce a given substance?
Feb 23, 2013
question
4
Finding mathematically the ground state density in DFT
Aug 12, 2019
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8
How is the tight binding model derived from the Kohn-Sham DFT energy?
7
How is the tight binding model derived from the Kohn-Sham DFT energy?
5
How should I disclose a data extraction error when submitting a revision?